(2-methylquinolin-3-yl)-[4-[1-(1,3-thiazol-2-yl)ethyl]piperazin-1-yl]methanone

C20H22N4OS — CID 126773535

IUPAC(2-methylquinolin-3-yl)-[4-[1-(1,3-thiazol-2-yl)ethyl]piperazin-1-yl]methanone
SMILESCc1nc2ccccc2cc1C(=O)N1CCN(C(C)c2nccs2)CC1
InChIInChI=1S/C20H22N4OS/c1-14-17(13-16-5-3-4-6-18(16)22-14)20(25)24-10-8-23(9-11-24)15(2)19-21-7-12-26-19/h3-7,12-13,15H,8-11H2,1-2H3
InChIKeyAWAFEZHPWZHECZ-UHFFFAOYSA-N
MW366.49 g/mol
LogP3.52
Rot. Bonds3

About (2-methylquinolin-3-yl)-[4-[1-(1,3-thiazol-2-yl)ethyl]piperazin-1-yl]methanone

(2-methylquinolin-3-yl)-[4-[1-(1,3-thiazol-2-yl)ethyl]piperazin-1-yl]methanone (PubChem CID 126773535) has the molecular formula C20H22N4OS and a molecular weight of 366.49 g/mol. Its IUPAC name is (2-methylquinolin-3-yl)-[4-[1-(1,3-thiazol-2-yl)ethyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name(2-methylquinolin-3-yl)-[4-[1-(1,3-thiazol-2-yl)ethyl]piperazin-1-yl]methanone
PubChem CID126773535
Molecular FormulaC20H22N4OS
Molecular Weight366.49 g/mol
Exact Mass366.15
IUPAC Name(2-methylquinolin-3-yl)-[4-[1-(1,3-thiazol-2-yl)ethyl]piperazin-1-yl]methanone
SMILESCc1nc2ccccc2cc1C(=O)N1CCN(C(C)c2nccs2)CC1
InChIInChI=1S/C20H22N4OS/c1-14-17(13-16-5-3-4-6-18(16)22-14)20(25)24-10-8-23(9-11-24)15(2)19-21-7-12-26-19/h3-7,12-13,15H,8-11H2,1-2H3
InChIKeyAWAFEZHPWZHECZ-UHFFFAOYSA-N
XLogP3.52
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.49
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-methyl-5-[4-[1-(1,3-thiazol-2-yl)ethyl]piperazine-1-carbonyl]phenyl]ethanone
CID 136538141
4-[4-[1-(1,3-thiazol-2-yl)ethyl]piperazine-1-carbonyl]-1H-quinolin-2-one
CID 126776288
(2-methylquinolin-3-yl)-morpholin-4-ylmethanone
CID 110489563
(6-fluoroquinolin-3-yl)-[4-[1-(1,3-thiazol-2-yl)ethyl]piperazin-1-yl]methanone
CID 126792102
1-[2-[4-(2-methylquinoline-3-carbonyl)piperazin-1-yl]ethyl]pyrrolidine-2,5-dione
CID 86880383
[(3S)-3-aminopyrrolidin-1-yl]-(2-methylquinolin-3-yl)methanone
CID 155950739
ethyl 4-[4-[1-(1,3-thiazol-2-yl)ethyl]piperazin-1-yl]quinoline-3-carboxylate
CID 133476406
[3-(methylamino)piperidin-1-yl]-(2-methylquinolin-3-yl)methanone;dihydrochloride
CID 126772613
2-[1-[4-(1-chloroisoquinolin-3-yl)piperazin-1-yl]ethyl]-1,3-thiazole
CID 133476539
[5-chloro-6-[4-[1-(1,3-thiazol-2-yl)ethyl]piperazin-1-yl]-3-pyridinyl]-piperidin-1-ylmethanone
CID 133476499
1-[4-[1-(1,3-benzothiazol-2-yl)ethyl]piperazin-1-yl]ethanone
CID 47110924
4-[(1R)-1-pyridin-3-ylethyl]-N-[(1S)-1-(1,3-thiazol-2-yl)ethyl]piperazine-1-carboxamide
CID 96549824

Frequently Asked Questions

What is the IUPAC name of (2-methylquinolin-3-yl)-[4-[1-(1,3-thiazol-2-yl)ethyl]piperazin-1-yl]methanone?
The IUPAC name of (2-methylquinolin-3-yl)-[4-[1-(1,3-thiazol-2-yl)ethyl]piperazin-1-yl]methanone (CID 126773535) is (2-methylquinolin-3-yl)-[4-[1-(1,3-thiazol-2-yl)ethyl]piperazin-1-yl]methanone.
What is the SMILES notation for (2-methylquinolin-3-yl)-[4-[1-(1,3-thiazol-2-yl)ethyl]piperazin-1-yl]methanone?
The canonical SMILES for (2-methylquinolin-3-yl)-[4-[1-(1,3-thiazol-2-yl)ethyl]piperazin-1-yl]methanone is Cc1nc2ccccc2cc1C(=O)N1CCN(C(C)c2nccs2)CC1.
What is the InChIKey of (2-methylquinolin-3-yl)-[4-[1-(1,3-thiazol-2-yl)ethyl]piperazin-1-yl]methanone?
The InChIKey is AWAFEZHPWZHECZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4OS/c1-14-17(13-16-5-3-4-6-18(16)22-14)20(25)24-10-8-23(9-11-24)15(2)19-21-7-12-26-19/h3-7,12-13,15H,8-11H2,1-2H3.
What are the key properties of (2-methylquinolin-3-yl)-[4-[1-(1,3-thiazol-2-yl)ethyl]piperazin-1-yl]methanone?
(2-methylquinolin-3-yl)-[4-[1-(1,3-thiazol-2-yl)ethyl]piperazin-1-yl]methanone has a molecular weight of 366.49 g/mol, XLogP of 3.52, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylquinolin-3-yl)-[4-[1-(1,3-thiazol-2-yl)ethyl]piperazin-1-yl]methanone is sourced from PubChem (CID 126773535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).